methyl 3-[2-(3-methyl-4-propan-2-yl-phenoxy)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(3-methyl-4-propan-2-yl-phenoxy)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[2-(4-isopropyl-3-methyl-phenoxy)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-methyl-4-propan-2-ylphenoxy)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[2-(4-isopropyl-3-methyl-phenoxy)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)NC(CC(=O)OC)C2=CC=CS2)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)C(=O)NC(CC(=O)OC)C2=CC=CS2)C(C)C

InChI

InChI=1S/C21H27NO4S/c1-13(2)17-9-8-16(11-14(17)3)26-15(4)21(24)22-18(12-20(23)25-5)19-7-6-10-27-19/h6-11,13,15,18H,12H2,1-5H3,(H,22,24)